1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

C22H27N3O3 — CID 108977627

IUPAC1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-25(2)18-10-8-17(9-11-18)24-21(27)22(13-14-22)20(26)23-15-12-16-6-4-5-7-19(16)28-3/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQFGXVGQFHNFFKP-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.84
Rot. Bonds8

About 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977627) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977627
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)C1(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-25(2)18-10-8-17(9-11-18)24-21(27)22(13-14-22)20(26)23-15-12-16-6-4-5-7-19(16)28-3/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQFGXVGQFHNFFKP-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(dimethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7585527
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977531
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977592
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972632
N'-[4-(diethylamino)phenyl]-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948602
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
1-[4-(dimethylamino)phenyl]-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 3552165

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977627) is 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is COc1ccccc1CCNC(=O)C1(C(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is QFGXVGQFHNFFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-25(2)18-10-8-17(9-11-18)24-21(27)22(13-14-22)20(26)23-15-12-16-6-4-5-7-19(16)28-3/h4-11H,12-15H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).